SCHEMBL2597641

SCHEMBL2597641

CC[C@@H](Oc1cc(Cl)ccc1C)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.59
PTGDR2 Q9Y5Y4 5/20 0.55
TSHR P16473 1/20 0.50
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
HTR2B P41595 1/20 0.50
PPARA Q07869 9/20 0.49
POLB P06746 1/20 0.49
GAA P10253 1/20 0.49
PPARG P37231 6/20 0.47
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6097869 1.00 SMN1; SMN2 (0.59) SMN1; SMN2PTGDR2TSHRHTR2AHTR2C
SCHEMBL2210931 0.88 TSHR (0.66) SMN1; SMN2PTGDR2TSHRHTR2AHTR2C
SCHEMBL2597640 0.88 TSHR (0.66) SMN1; SMN2PTGDR2TSHRHTR2AHTR2C
SCHEMBL11212441 0.86 POLB (0.63) SMN1; SMN2PTGDR2TSHRHTR2AHTR2C
SCHEMBL8853494 0.85 TSHR (0.55) SMN1; SMN2PTGDR2TSHRHTR2AHTR2C
SCHEMBL8935907 0.84 SMN1; SMN2 (0.62) SMN1; SMN2PTGDR2TSHRHTR2BPPARA
SCHEMBL8935915 0.84 SMN1; SMN2 (0.62) SMN1; SMN2PTGDR2TSHRHTR2BPPARA
Dimethylamine SCHEMBL28258492 0.84 TSHR (0.61) SMN1; SMN2PTGDR2TSHRHTR2AHTR2C
SCHEMBL9780844 0.83 PPARA (0.68) SMN1; SMN2PTGDR2TSHRHTR2AHTR2C
SCHEMBL541271 0.83 PPARA (0.68) SMN1; SMN2PTGDR2TSHRHTR2AHTR2C

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2554049-B1 Herbicidal composition with improved efficiency, preparation method and use ARD SA (FR) 2016-03-02 EP claimed
US-8709978-B2 Herbicide composition having improved effectiveness, method of preparation and use AGRO INDUSTRIE RECHERCHES ET DEVELOPPEMENTS (A.R.D.) (FR) 2014-04-29 US claimed
US-20130316907-A1 PROCESS FOR PREPARATION OF HERBICIDAL SALTS NUFARM AUSTRALIA LIMITED (AU) 2013-11-28 US claimed
US-20130035234-A1 HERBICIDE COMPOSITION HAVING IMPROVED EFFECTIVENESS, METHOD OF PREPARATION AND USE AGRO INDUSTRIE RECHERCHES ET DEVELOPPEMENTS (A.R.D.) (FR) 2013-02-07 US claimed
WO-2011143690-A1 PROCESS FOR PREPARATION OF HERBICIDAL SALTS NUFARM AUSTRALIA LIMITED (AU) 2011-11-24 WO claimed
US-20100261609-A1 Phenoxy Alkanoate Herbicidal Composition and Method of Preparation and Use Nufarm Australia Limited, an Australian Company (AU) 2010-10-14 US claimed
US-20090247407-A1 Glyceride Ester Derivatives of Herbicidal Compounds and Compositions Thereof NUFARM AUSTRALIA LIMITED (AU) 2009-10-01 US claimed
EP-2040551-A1 PHENOXY ALKANOATE HERBICIDAL COMPOSITION AND METHOD OF PREPARATION AND USE NUFARM AUSTRALIA LIMITED (AU) 2009-04-01 EP claimed
EP-2001830-A1 GLYCERIDE ESTER DERIVATIVES OF HERBICIDAL COMPOUNDS AND COMPOSITIONS THEREOF NUFARM AUSTRALIA LIMITED (AU) 2008-12-17 EP claimed
WO-2007147208-A1 PHENOXY ALKANOATE HERBICIDAL COMPOSITION AND METHOD OF PREPARATION AND USE NUFARM AUSTRALIA LIMITED (AU) 2007-12-27 WO claimed
WO-2007112505-A1 GLYCERIDE ESTER DERIVATIVES OF HERBICIDAL COMPOUNDS AND COMPOSITIONS THEREOF NUFARM AUSTRALIA LIMITED (AU) 2007-10-11 WO claimed
US-8962527-B2 Process for preparation of herbicidal salts NUFARM AUSTRALIA LIMITED (AU) 2015-02-24 US disclosed
US-8709978-B2 Herbicide composition having improved effectiveness, method of preparation and use AGRO INDUSTRIE RECHERCHES ET DEVELOPPEMENTS (A.R.D.) (FR) 2014-04-29 US disclosed
US-20130316907-A1 PROCESS FOR PREPARATION OF HERBICIDAL SALTS NUFARM AUSTRALIA LIMITED (AU) 2013-11-28 US disclosed
US-20130035234-A1 HERBICIDE COMPOSITION HAVING IMPROVED EFFECTIVENESS, METHOD OF PREPARATION AND USE AGRO INDUSTRIE RECHERCHES ET DEVELOPPEMENTS (A.R.D.) (FR) 2013-02-07 US disclosed
US-20100261609-A1 Phenoxy Alkanoate Herbicidal Composition and Method of Preparation and Use Nufarm Australia Limited, an Australian Company (AU) 2010-10-14 US disclosed
US-20090247407-A1 Glyceride Ester Derivatives of Herbicidal Compounds and Compositions Thereof NUFARM AUSTRALIA LIMITED (AU) 2009-10-01 US disclosed
EP-2040551-A1 PHENOXY ALKANOATE HERBICIDAL COMPOSITION AND METHOD OF PREPARATION AND USE NUFARM AUSTRALIA LIMITED (AU) 2009-04-01 EP disclosed
WO-2007147208-A1 PHENOXY ALKANOATE HERBICIDAL COMPOSITION AND METHOD OF PREPARATION AND USE NUFARM AUSTRALIA LIMITED (AU) 2007-12-27 WO disclosed
WO-2007030885-A1 AGROCHEMICAL EMULSIFIABLE CONCENTRATE NUFARM AUSTRALIA LIMITED (AU) 2007-03-22 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130035234-A1 HERBICIDE COMPOSITION HAVING IMPROVED EFFECTIVENESS, METHOD OF PREPARATION AND USE DDT, HDHD5, PAOX SMN1; SMN2 2205/4885PTGDR2 1729/4885TSHR 2444/4885
US-20090247407-A1 Glyceride Ester Derivatives of Herbicidal Compounds and Compositions Thereof PYM1, GRM4, GPR4 SMN1; SMN2 2588/4885PTGDR2 1022/4885TSHR 2549/4885
US-20100261609-A1 Phenoxy Alkanoate Herbicidal Composition and Method of Preparation and Use DDT, ALKBH3, PAOX SMN1; SMN2 2647/4885PTGDR2 2429/4885TSHR 2103/4885
US-20130316907-A1 PROCESS FOR PREPARATION OF HERBICIDAL SALTS DDT, DDC, HDHD5 SMN1; SMN2 3398/4885PTGDR2 4566/4885TSHR 1227/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.